>compound DL-3,4-Dihydroxymandelic acid_DL-3,4-Dihydroxymandelic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C8H8O5
#smiles OC(=O)C(O)c(c1)cc(O)c(O)c1
#RECORD LC-ESI-QTOF_train_data/PR100872.txt;LC-ESI-QTOF_train_data/PR100416.txt
>charge -1
>ionization [M-H]-
>parentmass 183.02937

>collision 5-60
137.0242 243.2
139.04 16.06
183.0294 74.27

>collision 5-60
98.9341 76.89
99.482 12.16
99.9418 112.7
126.8614 11.81
143.858 41.06
143.9169 31.63
184.8727 14.93

